[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3O6S2/c1-5-25-20-11-10-18(33(29,30)24(3)4)14-19(20)23-21(25)15-31-22(26)12-13-32(27,28)17-8-6-16(2)7-9-17/h6-11,14H,5,12-13,15H2,1-4H3